SCHEMBL7369804

SCHEMBL7369804

COc1ccc(C(=O)Nc2ccc3cn[nH]c3c2)cc1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.82
RAB9A P51151 6/20 0.82
KDM4E B2RXH2 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
LMNA P02545 1/20 0.71
MAP4K4 O95819 1/20 0.71
CLK2 P49760 1/20 0.71
DYRK1A Q13627 1/20 0.71
SRPK1 Q96SB4 1/20 0.71
CLK4 Q9HAZ1 1/20 0.71
ALDH1A1 P00352 2/20 0.70
MAPT P10636 2/20 0.70
F2 P00734 1/20 0.70
MAOB P27338 8/20 0.67
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
TP53 P04637 1/20 0.58
ALOX15 P16050 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6169511 0.90 NPC1 (0.68) NPC1RAB9AKDM4ESMN1; SMN2LMNA
SCHEMBL15764664 0.90 NPC1 (1.00) NPC1RAB9AMAP4K4CLK2DYRK1A
SCHEMBL5415418 0.85 NPC1 (0.86) NPC1RAB9AMAP4K4CLK2DYRK1A
SCHEMBL29429758 0.83 RAB9A (0.80) NPC1RAB9AKDM4ESMN1; SMN2MAP4K4
SCHEMBL3378320 0.83 RAB9A (0.80) NPC1RAB9AKDM4ESMN1; SMN2MAP4K4
Hydrochloric Acid SCHEMBL7368705 0.82 RAB9A (0.78) NPC1RAB9AKDM4ESMN1; SMN2MAP4K4
SCHEMBL11509146 0.80 NPC1 (0.64) NPC1RAB9AKDM4ESMN1; SMN2LMNA
SCHEMBL11509143 0.80 NPC1 (0.64) NPC1RAB9AKDM4ESMN1; SMN2LMNA
SCHEMBL7337800 0.79 MAP4K4 (0.66) MAP4K4CLK2DYRK1ASRPK1CLK4
SCHEMBL6170427 0.79 NPC1 (0.70) NPC1RAB9AKDM4ESMN1; SMN2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed